4-[1-(cyclohexylmethyl)pyrazol-4-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-[1-(cyclohexylmethyl)pyrazol-4-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[1-(cyclohexylmethyl)pyrazol-4-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[1-(cyclohexylmethyl)-4-pyrazolyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[1-(cyclohexylmethyl)pyrazol-4-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[1-(cyclohexylmethyl)pyrazol-4-yl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C31H33N5O5S2 MolecularWeight: 619.75422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C=C(C=N2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CN2C=C(C=N2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H33N5O5S2/c37-31(25-13-11-24(12-14-25)26-20-33-35(22-26)21-23-7-3-1-4-8-23)34-43(40,41)28-15-16-29(30(19-28)36(38)39)32-17-18-42-27-9-5-2-6-10-27/h2,5-6,9-16,19-20,22-23,32H,1,3-4,7-8,17-18,21H2,(H,34,37)